Cheung David L, Allen Michael P
Department of Physics and Centre for Scientific Computing, University of Warwick, Coventry CV4 7AL, United Kingdom.
Phys Rev E Stat Nonlin Soft Matter Phys. 2007 Oct;76(4 Pt 1):041706. doi: 10.1103/PhysRevE.76.041706. Epub 2007 Oct 25.
Using classical density functional theory, the structure of a molecular fluid around a cylindrical nanoparticle near a solid substrate is studied. The solvent-mediated force between the nanoparticle and the substrate is calculated in both the nematic and isotropic phases of the solvent. In the nematic phase, the force is short ranged and arises due to interaction between high-density regions near the substrate and nanoparticle. In the isotropic phase, the formation of a nematic bridge between the substrate and nanoparticle gives rise to an attractive force between them. The potential between the nanoparticle and substrate as a function of separation calculated numerically is compared to that calculated from the Derjaguin approximation. In the isotropic phase these are found to be in reasonable agreement at low separations, while the agreement is poorer in the nematic phase.
运用经典密度泛函理论，研究了靠近固体基底的圆柱形纳米颗粒周围分子流体的结构。在溶剂的向列相和各向同性相中，计算了纳米颗粒与基底之间的溶剂介导力。在向列相中，该力是短程的，源于基底和纳米颗粒附近高密度区域之间的相互作用。在各向同性相中，基底与纳米颗粒之间形成的向列桥导致了它们之间的吸引力。将数值计算得到的纳米颗粒与基底之间的势能作为间距的函数，与从德亚金近似计算得到的结果进行了比较。在各向同性相中，发现在小间距时二者吻合较好，而在向列相中吻合较差。
